4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid

C12H16N2O4 — CID 63985912

IUPAC4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
SMILESCOc1cccc(CN2CCOC(C(=O)O)C2)n1
InChIInChI=1S/C12H16N2O4/c1-17-11-4-2-3-9(13-11)7-14-5-6-18-10(8-14)12(15)16/h2-4,10H,5-8H2,1H3,(H,15,16)
InChIKeyKKXUTYQZCRYEPJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.38
Rot. Bonds4

About 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid

4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid (PubChem CID 63985912) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
PubChem CID63985912
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
SMILESCOc1cccc(CN2CCOC(C(=O)O)C2)n1
InChIInChI=1S/C12H16N2O4/c1-17-11-4-2-3-9(13-11)7-14-5-6-18-10(8-14)12(15)16/h2-4,10H,5-8H2,1H3,(H,15,16)
InChIKeyKKXUTYQZCRYEPJ-UHFFFAOYSA-N
XLogP0.38
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboximidamide
CID 79680423
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate
CID 66555914
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
2-[(3-chloropiperidin-1-yl)methyl]-6-methoxypyridine
CID 63984943
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103897931
[(4aS,8aS)-6-[(6-methoxy-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(furan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155839719
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid (CID 63985912) is 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid is COc1cccc(CN2CCOC(C(=O)O)C2)n1.
What is the InChIKey of 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid?
The InChIKey is KKXUTYQZCRYEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-11-4-2-3-9(13-11)7-14-5-6-18-10(8-14)12(15)16/h2-4,10H,5-8H2,1H3,(H,15,16).
What are the key properties of 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid?
4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 63985912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).